USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 58 ASN : amide:sc= -0.0323 X(o=1.2,f=1.5) USER MOD Set 1.2: B 60 HIS : no HD1:sc= 0.621 X(o=1.2,f=1.5) USER MOD Set 1.3: B 69 THR OG1 : rot -116:sc= 0.624 USER MOD Set 2.1: B 40 SER OG : rot 180:sc= 0.252 USER MOD Set 2.2: B 43 THR OG1 : rot 85:sc= 0.265 USER MOD Set 3.1: B 36 THR OG1 : rot 180:sc= -0.0764 USER MOD Set 3.2: B 37 SER OG : rot 180:sc= 0.319 USER MOD Set 4.1: B 25 ASN : amide:sc= 0.204 X(o=0.49,f=0.45) USER MOD Set 4.2: B 27 ASN : amide:sc= 0.283 X(o=0.49,f=0.45) USER MOD Single : B 6 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.6) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 176:sc= 0.441 (180deg=0.417) USER MOD Single : B 21 HIS : no HD1:sc= -0.706 K(o=-0.71,f=-4.6!) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0388) USER MOD Single : B 34 SER OG : rot -86:sc= 0.83 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.063 USER MOD Single : B 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0622) USER MOD Single : B 45 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.068) USER MOD Single : B 46 THR OG1 : rot 100:sc= 0.255 USER MOD Single : B 47 MET CE :methyl 178:sc= 0 (180deg=-0.00373) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ -171:sc= -0.0038 (180deg=-0.1) USER MOD Single : B 59 HIS : no HE2:sc= -1.66! K(o=-1.7!,f=-3.1) USER MOD Single : B 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0357) USER MOD Single : B 68 TYR OH : rot 180:sc= -0.051 USER MOD Single : B 71 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 851 N PRO B 5 7.066 8.927 -1.386 1.00 0.00 N ATOM 852 CA PRO B 5 7.147 7.556 -1.868 1.00 0.00 C ATOM 853 C PRO B 5 7.525 7.460 -3.347 1.00 0.00 C ATOM 854 O PRO B 5 6.859 8.055 -4.194 1.00 0.00 O ATOM 855 CB PRO B 5 5.787 6.915 -1.574 1.00 0.00 C ATOM 856 CG PRO B 5 5.250 7.750 -0.414 1.00 0.00 C ATOM 857 CD PRO B 5 5.806 9.145 -0.695 1.00 0.00 C ATOM 0 HA PRO B 5 7.950 7.025 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO B 5 5.126 6.957 -2.440 1.00 0.00 H new ATOM 0 HB3 PRO B 5 5.888 5.865 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO B 5 4.160 7.749 -0.389 1.00 0.00 H new ATOM 0 HG3 PRO B 5 5.591 7.368 0.548 1.00 0.00 H new ATOM 0 HD2 PRO B 5 5.117 9.726 -1.308 1.00 0.00 H new ATOM 0 HD3 PRO B 5 5.957 9.702 0.230 1.00 0.00 H new ATOM 865 N GLN B 6 8.604 6.722 -3.644 1.00 0.00 N ATOM 866 CA GLN B 6 9.095 6.509 -4.998 1.00 0.00 C ATOM 867 C GLN B 6 8.215 5.446 -5.657 1.00 0.00 C ATOM 868 O GLN B 6 8.592 4.278 -5.739 1.00 0.00 O ATOM 869 CB GLN B 6 10.578 6.099 -4.984 1.00 0.00 C ATOM 870 CG GLN B 6 11.536 7.275 -4.739 1.00 0.00 C ATOM 871 CD GLN B 6 11.510 7.830 -3.314 1.00 0.00 C ATOM 872 OE1 GLN B 6 11.197 7.118 -2.362 1.00 0.00 O ATOM 873 NE2 GLN B 6 11.864 9.109 -3.164 1.00 0.00 N ATOM 0 H GLN B 6 9.164 6.252 -2.933 1.00 0.00 H new ATOM 0 HA GLN B 6 9.037 7.433 -5.574 1.00 0.00 H new ATOM 0 HB2 GLN B 6 10.732 5.348 -4.209 1.00 0.00 H new ATOM 0 HB3 GLN B 6 10.826 5.630 -5.936 1.00 0.00 H new ATOM 0 HG2 GLN B 6 12.551 6.954 -4.972 1.00 0.00 H new ATOM 0 HG3 GLN B 6 11.289 8.079 -5.433 1.00 0.00 H new ATOM 0 HE21 GLN B 6 12.117 9.667 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN B 6 11.881 9.528 -2.234 1.00 0.00 H new ATOM 882 N ILE B 7 7.049 5.877 -6.153 1.00 0.00 N ATOM 883 CA ILE B 7 6.059 5.013 -6.774 1.00 0.00 C ATOM 884 C ILE B 7 6.423 4.703 -8.223 1.00 0.00 C ATOM 885 O ILE B 7 6.957 5.537 -8.952 1.00 0.00 O ATOM 886 CB ILE B 7 4.656 5.650 -6.675 1.00 0.00 C ATOM 887 CG1 ILE B 7 4.180 5.598 -5.215 1.00 0.00 C ATOM 888 CG2 ILE B 7 3.640 4.933 -7.582 1.00 0.00 C ATOM 889 CD1 ILE B 7 2.832 6.272 -4.973 1.00 0.00 C ATOM 0 H ILE B 7 6.769 6.858 -6.129 1.00 0.00 H new ATOM 0 HA ILE B 7 6.046 4.066 -6.234 1.00 0.00 H new ATOM 0 HB ILE B 7 4.725 6.684 -7.012 1.00 0.00 H new ATOM 0 HG12 ILE B 7 4.114 4.556 -4.903 1.00 0.00 H new ATOM 0 HG13 ILE B 7 4.930 6.073 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE B 7 2.665 5.410 -7.484 1.00 0.00 H new ATOM 0 HG22 ILE B 7 3.972 4.993 -8.619 1.00 0.00 H new ATOM 0 HG23 ILE B 7 3.563 3.887 -7.286 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.569 6.191 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE B 7 2.896 7.324 -5.251 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.067 5.783 -5.576 1.00 0.00 H new ATOM 901 N SER B 8 6.097 3.464 -8.601 1.00 0.00 N ATOM 902 CA SER B 8 6.249 2.872 -9.914 1.00 0.00 C ATOM 903 C SER B 8 4.961 2.093 -10.189 1.00 0.00 C ATOM 904 O SER B 8 3.968 2.261 -9.479 1.00 0.00 O ATOM 905 CB SER B 8 7.488 1.964 -9.907 1.00 0.00 C ATOM 906 OG SER B 8 7.340 0.925 -8.960 1.00 0.00 O ATOM 0 H SER B 8 5.689 2.805 -7.938 1.00 0.00 H new ATOM 0 HA SER B 8 6.399 3.614 -10.699 1.00 0.00 H new ATOM 0 HB2 SER B 8 7.640 1.539 -10.899 1.00 0.00 H new ATOM 0 HB3 SER B 8 8.375 2.553 -9.673 1.00 0.00 H new ATOM 0 HG SER B 8 8.138 0.356 -8.971 1.00 0.00 H new ATOM 912 N ASP B 9 4.962 1.235 -11.215 1.00 0.00 N ATOM 913 CA ASP B 9 3.809 0.404 -11.520 1.00 0.00 C ATOM 914 C ASP B 9 3.547 -0.525 -10.333 1.00 0.00 C ATOM 915 O ASP B 9 2.418 -0.619 -9.863 1.00 0.00 O ATOM 916 CB ASP B 9 4.075 -0.384 -12.810 1.00 0.00 C ATOM 917 CG ASP B 9 2.918 -1.311 -13.184 1.00 0.00 C ATOM 918 OD1 ASP B 9 1.762 -0.836 -13.140 1.00 0.00 O ATOM 919 OD2 ASP B 9 3.211 -2.480 -13.515 1.00 0.00 O ATOM 0 H ASP B 9 5.753 1.103 -11.845 1.00 0.00 H new ATOM 0 HA ASP B 9 2.922 1.016 -11.682 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.254 0.315 -13.627 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.984 -0.974 -12.690 1.00 0.00 H new ATOM 924 N ALA B 10 4.608 -1.167 -9.828 1.00 0.00 N ATOM 925 CA ALA B 10 4.554 -2.093 -8.710 1.00 0.00 C ATOM 926 C ALA B 10 3.994 -1.479 -7.432 1.00 0.00 C ATOM 927 O ALA B 10 3.168 -2.117 -6.780 1.00 0.00 O ATOM 928 CB ALA B 10 5.952 -2.663 -8.448 1.00 0.00 C ATOM 0 H ALA B 10 5.549 -1.047 -10.202 1.00 0.00 H new ATOM 0 HA ALA B 10 3.863 -2.886 -8.995 1.00 0.00 H new ATOM 0 HB1 ALA B 10 5.910 -3.358 -7.609 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.303 -3.188 -9.336 1.00 0.00 H new ATOM 0 HB3 ALA B 10 6.638 -1.850 -8.212 1.00 0.00 H new ATOM 934 N GLU B 11 4.431 -0.265 -7.060 1.00 0.00 N ATOM 935 CA GLU B 11 3.955 0.342 -5.826 1.00 0.00 C ATOM 936 C GLU B 11 2.463 0.637 -5.916 1.00 0.00 C ATOM 937 O GLU B 11 1.705 0.223 -5.045 1.00 0.00 O ATOM 938 CB GLU B 11 4.736 1.609 -5.433 1.00 0.00 C ATOM 939 CG GLU B 11 4.747 1.728 -3.900 1.00 0.00 C ATOM 940 CD GLU B 11 5.457 2.979 -3.384 1.00 0.00 C ATOM 941 OE1 GLU B 11 6.563 3.262 -3.887 1.00 0.00 O ATOM 942 OE2 GLU B 11 4.885 3.631 -2.484 1.00 0.00 O ATOM 0 H GLU B 11 5.098 0.298 -7.588 1.00 0.00 H new ATOM 0 HA GLU B 11 4.131 -0.386 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.756 1.558 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.273 2.491 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU B 11 3.719 1.729 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.232 0.847 -3.480 1.00 0.00 H new ATOM 949 N LEU B 12 2.049 1.331 -6.981 1.00 0.00 N ATOM 950 CA LEU B 12 0.669 1.724 -7.210 1.00 0.00 C ATOM 951 C LEU B 12 -0.242 0.501 -7.370 1.00 0.00 C ATOM 952 O LEU B 12 -1.360 0.526 -6.863 1.00 0.00 O ATOM 953 CB LEU B 12 0.630 2.638 -8.451 1.00 0.00 C ATOM 954 CG LEU B 12 -0.572 3.588 -8.608 1.00 0.00 C ATOM 955 CD1 LEU B 12 -1.919 2.886 -8.809 1.00 0.00 C ATOM 956 CD2 LEU B 12 -0.664 4.588 -7.453 1.00 0.00 C ATOM 0 H LEU B 12 2.683 1.638 -7.719 1.00 0.00 H new ATOM 0 HA LEU B 12 0.289 2.270 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.537 3.243 -8.449 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.672 2.003 -9.336 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.369 4.126 -9.534 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -2.707 3.632 -8.910 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -1.880 2.275 -9.711 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.130 2.250 -7.949 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -1.525 5.239 -7.603 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.776 4.048 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.244 5.190 -7.420 1.00 0.00 H new ATOM 968 N GLU B 13 0.217 -0.570 -8.042 1.00 0.00 N ATOM 969 CA GLU B 13 -0.574 -1.787 -8.230 1.00 0.00 C ATOM 970 C GLU B 13 -1.076 -2.336 -6.893 1.00 0.00 C ATOM 971 O GLU B 13 -2.188 -2.855 -6.821 1.00 0.00 O ATOM 972 CB GLU B 13 0.239 -2.852 -8.976 1.00 0.00 C ATOM 973 CG GLU B 13 0.128 -2.673 -10.496 1.00 0.00 C ATOM 974 CD GLU B 13 1.045 -3.635 -11.248 1.00 0.00 C ATOM 975 OE1 GLU B 13 2.253 -3.650 -10.925 1.00 0.00 O ATOM 976 OE2 GLU B 13 0.526 -4.337 -12.143 1.00 0.00 O ATOM 0 H GLU B 13 1.144 -0.611 -8.466 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.443 -1.527 -8.834 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.285 -2.791 -8.676 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.115 -3.845 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.904 -2.836 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.382 -1.647 -10.761 1.00 0.00 H new ATOM 983 N VAL B 14 -0.259 -2.214 -5.841 1.00 0.00 N ATOM 984 CA VAL B 14 -0.611 -2.640 -4.499 1.00 0.00 C ATOM 985 C VAL B 14 -1.648 -1.680 -3.937 1.00 0.00 C ATOM 986 O VAL B 14 -2.751 -2.112 -3.622 1.00 0.00 O ATOM 987 CB VAL B 14 0.654 -2.704 -3.633 1.00 0.00 C ATOM 988 CG1 VAL B 14 0.355 -2.756 -2.131 1.00 0.00 C ATOM 989 CG2 VAL B 14 1.453 -3.929 -4.057 1.00 0.00 C ATOM 0 H VAL B 14 0.675 -1.810 -5.908 1.00 0.00 H new ATOM 0 HA VAL B 14 -1.047 -3.639 -4.509 1.00 0.00 H new ATOM 0 HB VAL B 14 1.223 -1.788 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL B 14 1.291 -2.800 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -0.199 -1.864 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -0.241 -3.641 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL B 14 2.359 -3.998 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL B 14 0.850 -4.825 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL B 14 1.722 -3.842 -5.110 1.00 0.00 H new ATOM 999 N MET B 15 -1.298 -0.389 -3.860 1.00 0.00 N ATOM 1000 CA MET B 15 -2.138 0.683 -3.333 1.00 0.00 C ATOM 1001 C MET B 15 -3.557 0.603 -3.883 1.00 0.00 C ATOM 1002 O MET B 15 -4.524 0.769 -3.145 1.00 0.00 O ATOM 1003 CB MET B 15 -1.563 2.050 -3.710 1.00 0.00 C ATOM 1004 CG MET B 15 -0.054 2.188 -3.483 1.00 0.00 C ATOM 1005 SD MET B 15 0.570 3.882 -3.627 1.00 0.00 S ATOM 1006 CE MET B 15 1.462 4.014 -2.058 1.00 0.00 C ATOM 0 H MET B 15 -0.387 -0.055 -4.176 1.00 0.00 H new ATOM 0 HA MET B 15 -2.160 0.564 -2.250 1.00 0.00 H new ATOM 0 HB2 MET B 15 -1.779 2.244 -4.761 1.00 0.00 H new ATOM 0 HB3 MET B 15 -2.077 2.818 -3.132 1.00 0.00 H new ATOM 0 HG2 MET B 15 0.189 1.807 -2.491 1.00 0.00 H new ATOM 0 HG3 MET B 15 0.469 1.558 -4.203 1.00 0.00 H new ATOM 0 HE1 MET B 15 1.914 5.003 -1.978 1.00 0.00 H new ATOM 0 HE2 MET B 15 0.768 3.864 -1.231 1.00 0.00 H new ATOM 0 HE3 MET B 15 2.243 3.254 -2.018 1.00 0.00 H new ATOM 1016 N LYS B 16 -3.644 0.351 -5.191 1.00 0.00 N ATOM 1017 CA LYS B 16 -4.866 0.183 -5.954 1.00 0.00 C ATOM 1018 C LYS B 16 -5.814 -0.794 -5.256 1.00 0.00 C ATOM 1019 O LYS B 16 -6.989 -0.470 -5.099 1.00 0.00 O ATOM 1020 CB LYS B 16 -4.515 -0.280 -7.373 1.00 0.00 C ATOM 1021 CG LYS B 16 -5.731 -0.254 -8.308 1.00 0.00 C ATOM 1022 CD LYS B 16 -5.406 -0.826 -9.694 1.00 0.00 C ATOM 1023 CE LYS B 16 -4.353 -0.005 -10.447 1.00 0.00 C ATOM 1024 NZ LYS B 16 -4.175 -0.500 -11.822 1.00 0.00 N ATOM 0 H LYS B 16 -2.811 0.255 -5.772 1.00 0.00 H new ATOM 0 HA LYS B 16 -5.389 1.137 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -3.733 0.361 -7.779 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.110 -1.291 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -6.543 -0.827 -7.861 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -6.085 0.772 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -5.050 -1.850 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -6.319 -0.868 -10.287 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -4.654 1.042 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -3.403 -0.052 -9.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -3.457 0.074 -12.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -3.865 -1.492 -11.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -5.077 -0.432 -12.335 1.00 0.00 H new ATOM 1038 N VAL B 17 -5.326 -1.968 -4.819 1.00 0.00 N ATOM 1039 CA VAL B 17 -6.157 -2.940 -4.132 1.00 0.00 C ATOM 1040 C VAL B 17 -6.537 -2.425 -2.742 1.00 0.00 C ATOM 1041 O VAL B 17 -7.700 -2.495 -2.351 1.00 0.00 O ATOM 1042 CB VAL B 17 -5.386 -4.268 -4.041 1.00 0.00 C ATOM 1043 CG1 VAL B 17 -6.016 -5.217 -3.023 1.00 0.00 C ATOM 1044 CG2 VAL B 17 -5.331 -4.969 -5.403 1.00 0.00 C ATOM 0 H VAL B 17 -4.355 -2.256 -4.936 1.00 0.00 H new ATOM 0 HA VAL B 17 -7.082 -3.100 -4.686 1.00 0.00 H new ATOM 0 HB VAL B 17 -4.375 -4.020 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -5.444 -6.144 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -6.012 -4.749 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -7.043 -5.436 -3.316 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.780 -5.905 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -6.344 -5.177 -5.746 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -4.829 -4.324 -6.124 1.00 0.00 H new ATOM 1054 N ILE B 18 -5.543 -1.920 -2.005 1.00 0.00 N ATOM 1055 CA ILE B 18 -5.685 -1.429 -0.644 1.00 0.00 C ATOM 1056 C ILE B 18 -6.726 -0.315 -0.522 1.00 0.00 C ATOM 1057 O ILE B 18 -7.518 -0.330 0.418 1.00 0.00 O ATOM 1058 CB ILE B 18 -4.306 -1.010 -0.098 1.00 0.00 C ATOM 1059 CG1 ILE B 18 -3.315 -2.185 -0.260 1.00 0.00 C ATOM 1060 CG2 ILE B 18 -4.453 -0.511 1.349 1.00 0.00 C ATOM 1061 CD1 ILE B 18 -2.033 -2.062 0.562 1.00 0.00 C ATOM 0 H ILE B 18 -4.589 -1.842 -2.357 1.00 0.00 H new ATOM 0 HA ILE B 18 -6.068 -2.242 -0.028 1.00 0.00 H new ATOM 0 HB ILE B 18 -3.894 -0.176 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -3.821 -3.109 0.019 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -3.047 -2.273 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -3.477 -0.215 1.733 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -5.126 0.346 1.372 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -4.860 -1.309 1.970 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -1.401 -2.932 0.383 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -1.498 -1.159 0.269 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -2.284 -2.008 1.621 1.00 0.00 H new ATOM 1073 N TRP B 19 -6.734 0.640 -1.461 1.00 0.00 N ATOM 1074 CA TRP B 19 -7.663 1.761 -1.452 1.00 0.00 C ATOM 1075 C TRP B 19 -9.129 1.326 -1.572 1.00 0.00 C ATOM 1076 O TRP B 19 -10.005 2.053 -1.105 1.00 0.00 O ATOM 1077 CB TRP B 19 -7.258 2.804 -2.505 1.00 0.00 C ATOM 1078 CG TRP B 19 -6.038 3.630 -2.190 1.00 0.00 C ATOM 1079 CD1 TRP B 19 -5.752 4.177 -0.985 1.00 0.00 C ATOM 1080 CD2 TRP B 19 -4.966 4.077 -3.080 1.00 0.00 C ATOM 1081 NE1 TRP B 19 -4.583 4.904 -1.053 1.00 0.00 N ATOM 1082 CE2 TRP B 19 -4.058 4.881 -2.326 1.00 0.00 C ATOM 1083 CE3 TRP B 19 -4.672 3.903 -4.450 1.00 0.00 C ATOM 1084 CZ2 TRP B 19 -2.918 5.468 -2.895 1.00 0.00 C ATOM 1085 CZ3 TRP B 19 -3.522 4.474 -5.028 1.00 0.00 C ATOM 1086 CH2 TRP B 19 -2.642 5.249 -4.252 1.00 0.00 C ATOM 0 H TRP B 19 -6.089 0.650 -2.251 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.594 2.237 -0.474 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -7.087 2.288 -3.450 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -8.099 3.480 -2.658 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -6.355 4.060 -0.096 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -4.162 5.395 -0.264 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -5.342 3.321 -5.066 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -2.261 6.081 -2.295 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -3.314 4.315 -6.076 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -1.756 5.674 -4.700 1.00 0.00 H new ATOM 1097 N LYS B 20 -9.410 0.155 -2.163 1.00 0.00 N ATOM 1098 CA LYS B 20 -10.770 -0.363 -2.261 1.00 0.00 C ATOM 1099 C LYS B 20 -11.256 -0.753 -0.861 1.00 0.00 C ATOM 1100 O LYS B 20 -12.376 -0.422 -0.475 1.00 0.00 O ATOM 1101 CB LYS B 20 -10.842 -1.574 -3.203 1.00 0.00 C ATOM 1102 CG LYS B 20 -10.289 -1.307 -4.609 1.00 0.00 C ATOM 1103 CD LYS B 20 -11.051 -0.198 -5.346 1.00 0.00 C ATOM 1104 CE LYS B 20 -10.571 -0.051 -6.794 1.00 0.00 C ATOM 1105 NZ LYS B 20 -9.192 0.461 -6.869 1.00 0.00 N ATOM 0 H LYS B 20 -8.703 -0.450 -2.581 1.00 0.00 H new ATOM 0 HA LYS B 20 -11.412 0.414 -2.676 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -10.289 -2.401 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -11.881 -1.894 -3.287 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -9.237 -1.031 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -10.337 -2.225 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -12.118 -0.421 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -10.918 0.747 -4.820 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -10.626 -1.018 -7.294 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -11.238 0.624 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -8.883 0.481 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -9.157 1.423 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -8.561 -0.160 -6.323 1.00 0.00 H new ATOM 1119 N HIS B 21 -10.392 -1.446 -0.108 1.00 0.00 N ATOM 1120 CA HIS B 21 -10.631 -1.903 1.254 1.00 0.00 C ATOM 1121 C HIS B 21 -10.569 -0.696 2.215 1.00 0.00 C ATOM 1122 O HIS B 21 -9.930 0.301 1.878 1.00 0.00 O ATOM 1123 CB HIS B 21 -9.578 -2.989 1.558 1.00 0.00 C ATOM 1124 CG HIS B 21 -9.998 -4.012 2.589 1.00 0.00 C ATOM 1125 ND1 HIS B 21 -10.716 -3.671 3.736 1.00 0.00 N ATOM 1126 CD2 HIS B 21 -9.768 -5.364 2.602 1.00 0.00 C ATOM 1127 CE1 HIS B 21 -10.857 -4.818 4.407 1.00 0.00 C ATOM 1128 NE2 HIS B 21 -10.311 -5.863 3.767 1.00 0.00 N ATOM 0 H HIS B 21 -9.469 -1.711 -0.453 1.00 0.00 H new ATOM 0 HA HIS B 21 -11.621 -2.340 1.383 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -9.334 -3.508 0.631 1.00 0.00 H new ATOM 0 HB3 HIS B 21 -8.665 -2.503 1.901 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -9.256 -5.933 1.840 1.00 0.00 H new ATOM 0 HE1 HIS B 21 -11.357 -4.895 5.361 1.00 0.00 H new ATOM 0 HE2 HIS B 21 -10.300 -6.834 4.080 1.00 0.00 H new ATOM 1136 N SER B 22 -11.236 -0.745 3.388 1.00 0.00 N ATOM 1137 CA SER B 22 -11.216 0.368 4.350 1.00 0.00 C ATOM 1138 C SER B 22 -9.761 0.587 4.768 1.00 0.00 C ATOM 1139 O SER B 22 -9.207 1.664 4.554 1.00 0.00 O ATOM 1140 CB SER B 22 -12.121 0.045 5.544 1.00 0.00 C ATOM 1141 OG SER B 22 -12.082 1.099 6.481 1.00 0.00 O ATOM 0 H SER B 22 -11.794 -1.545 3.688 1.00 0.00 H new ATOM 0 HA SER B 22 -11.603 1.286 3.906 1.00 0.00 H new ATOM 0 HB2 SER B 22 -13.144 -0.111 5.203 1.00 0.00 H new ATOM 0 HB3 SER B 22 -11.797 -0.883 6.015 1.00 0.00 H new ATOM 0 HG SER B 22 -12.665 0.884 7.239 1.00 0.00 H new ATOM 1147 N SER B 23 -9.150 -0.462 5.329 1.00 0.00 N ATOM 1148 CA SER B 23 -7.709 -0.553 5.509 1.00 0.00 C ATOM 1149 C SER B 23 -7.407 -1.923 4.893 1.00 0.00 C ATOM 1150 O SER B 23 -8.203 -2.366 4.077 1.00 0.00 O ATOM 1151 CB SER B 23 -7.388 -0.483 7.003 1.00 0.00 C ATOM 1152 OG SER B 23 -7.643 0.816 7.490 1.00 0.00 O ATOM 0 H SER B 23 -9.655 -1.279 5.673 1.00 0.00 H new ATOM 0 HA SER B 23 -7.119 0.242 5.053 1.00 0.00 H new ATOM 0 HB2 SER B 23 -7.991 -1.210 7.548 1.00 0.00 H new ATOM 0 HB3 SER B 23 -6.344 -0.745 7.172 1.00 0.00 H new ATOM 0 HG SER B 23 -7.437 0.853 8.447 1.00 0.00 H new ATOM 1158 N ILE B 24 -6.343 -2.654 5.242 1.00 0.00 N ATOM 1159 CA ILE B 24 -6.210 -4.026 4.744 1.00 0.00 C ATOM 1160 C ILE B 24 -5.431 -4.923 5.706 1.00 0.00 C ATOM 1161 O ILE B 24 -4.365 -4.508 6.150 1.00 0.00 O ATOM 1162 CB ILE B 24 -5.836 -4.094 3.251 1.00 0.00 C ATOM 1163 CG1 ILE B 24 -6.087 -5.501 2.697 1.00 0.00 C ATOM 1164 CG2 ILE B 24 -4.385 -3.679 3.050 1.00 0.00 C ATOM 1165 CD1 ILE B 24 -6.187 -5.503 1.168 1.00 0.00 C ATOM 0 H ILE B 24 -5.586 -2.333 5.846 1.00 0.00 H new ATOM 0 HA ILE B 24 -7.200 -4.483 4.744 1.00 0.00 H new ATOM 0 HB ILE B 24 -6.469 -3.398 2.700 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -5.280 -6.163 3.009 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -7.008 -5.899 3.122 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -4.135 -3.732 1.990 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -4.246 -2.658 3.405 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -3.734 -4.350 3.610 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -6.365 -6.519 0.816 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -7.011 -4.862 0.856 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -5.256 -5.130 0.742 1.00 0.00 H new ATOM 1177 N ASN B 25 -5.886 -6.146 6.003 1.00 0.00 N ATOM 1178 CA ASN B 25 -5.178 -7.084 6.829 1.00 0.00 C ATOM 1179 C ASN B 25 -4.395 -7.890 5.782 1.00 0.00 C ATOM 1180 O ASN B 25 -4.967 -8.227 4.744 1.00 0.00 O ATOM 1181 CB ASN B 25 -6.233 -7.844 7.655 1.00 0.00 C ATOM 1182 CG ASN B 25 -7.067 -8.828 6.835 1.00 0.00 C ATOM 1183 OD1 ASN B 25 -6.657 -9.967 6.626 1.00 0.00 O ATOM 1184 ND2 ASN B 25 -8.246 -8.391 6.384 1.00 0.00 N ATOM 0 H ASN B 25 -6.778 -6.502 5.660 1.00 0.00 H new ATOM 0 HA ASN B 25 -4.483 -6.704 7.578 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -5.732 -8.387 8.456 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -6.900 -7.123 8.127 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -8.847 -9.012 5.842 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -8.546 -7.436 6.582 1.00 0.00 H new ATOM 1191 N THR B 26 -3.097 -8.149 5.999 1.00 0.00 N ATOM 1192 CA THR B 26 -2.244 -8.845 5.037 1.00 0.00 C ATOM 1193 C THR B 26 -2.887 -10.064 4.371 1.00 0.00 C ATOM 1194 O THR B 26 -2.554 -10.322 3.222 1.00 0.00 O ATOM 1195 CB THR B 26 -0.860 -9.231 5.602 1.00 0.00 C ATOM 1196 OG1 THR B 26 -0.918 -9.522 6.981 1.00 0.00 O ATOM 1197 CG2 THR B 26 0.187 -8.150 5.310 1.00 0.00 C ATOM 0 H THR B 26 -2.611 -7.878 6.854 1.00 0.00 H new ATOM 0 HA THR B 26 -2.103 -8.093 4.261 1.00 0.00 H new ATOM 0 HB THR B 26 -0.550 -10.142 5.090 1.00 0.00 H new ATOM 0 HG1 THR B 26 -0.024 -9.763 7.302 1.00 0.00 H new ATOM 0 HG21 THR B 26 1.149 -8.455 5.722 1.00 0.00 H new ATOM 0 HG22 THR B 26 0.280 -8.015 4.232 1.00 0.00 H new ATOM 0 HG23 THR B 26 -0.123 -7.211 5.768 1.00 0.00 H new ATOM 1205 N ASN B 27 -3.797 -10.813 5.014 1.00 0.00 N ATOM 1206 CA ASN B 27 -4.387 -11.954 4.307 1.00 0.00 C ATOM 1207 C ASN B 27 -5.064 -11.524 3.002 1.00 0.00 C ATOM 1208 O ASN B 27 -4.921 -12.204 1.990 1.00 0.00 O ATOM 1209 CB ASN B 27 -5.311 -12.768 5.215 1.00 0.00 C ATOM 1210 CG ASN B 27 -6.691 -13.074 4.623 1.00 0.00 C ATOM 1211 OD1 ASN B 27 -6.821 -13.911 3.731 1.00 0.00 O ATOM 1212 ND2 ASN B 27 -7.726 -12.396 5.126 1.00 0.00 N ATOM 0 H ASN B 27 -4.124 -10.661 5.968 1.00 0.00 H new ATOM 0 HA ASN B 27 -3.573 -12.621 4.024 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -4.819 -13.710 5.459 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -5.445 -12.227 6.151 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -8.667 -12.564 4.771 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -7.575 -11.710 5.866 1.00 0.00 H new ATOM 1219 N GLU B 28 -5.786 -10.401 3.027 1.00 0.00 N ATOM 1220 CA GLU B 28 -6.463 -9.864 1.864 1.00 0.00 C ATOM 1221 C GLU B 28 -5.465 -9.287 0.857 1.00 0.00 C ATOM 1222 O GLU B 28 -5.662 -9.466 -0.344 1.00 0.00 O ATOM 1223 CB GLU B 28 -7.478 -8.816 2.326 1.00 0.00 C ATOM 1224 CG GLU B 28 -8.575 -9.422 3.203 1.00 0.00 C ATOM 1225 CD GLU B 28 -9.458 -10.404 2.437 1.00 0.00 C ATOM 1226 OE1 GLU B 28 -10.317 -9.918 1.670 1.00 0.00 O ATOM 1227 OE2 GLU B 28 -9.259 -11.624 2.628 1.00 0.00 O ATOM 0 H GLU B 28 -5.913 -9.839 3.869 1.00 0.00 H new ATOM 0 HA GLU B 28 -6.991 -10.665 1.346 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -6.962 -8.033 2.882 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.931 -8.343 1.455 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.118 -9.934 4.050 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.194 -8.622 3.610 1.00 0.00 H new ATOM 1234 N VAL B 29 -4.399 -8.614 1.323 1.00 0.00 N ATOM 1235 CA VAL B 29 -3.393 -8.031 0.439 1.00 0.00 C ATOM 1236 C VAL B 29 -2.645 -9.153 -0.286 1.00 0.00 C ATOM 1237 O VAL B 29 -2.634 -9.176 -1.514 1.00 0.00 O ATOM 1238 CB VAL B 29 -2.507 -7.006 1.189 1.00 0.00 C ATOM 1239 CG1 VAL B 29 -1.140 -7.512 1.662 1.00 0.00 C ATOM 1240 CG2 VAL B 29 -2.210 -5.784 0.315 1.00 0.00 C ATOM 0 H VAL B 29 -4.217 -8.463 2.315 1.00 0.00 H new ATOM 0 HA VAL B 29 -3.865 -7.435 -0.342 1.00 0.00 H new ATOM 0 HB VAL B 29 -3.111 -6.778 2.067 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.611 -6.707 2.173 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.279 -8.348 2.348 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.556 -7.841 0.802 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.586 -5.083 0.870 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -1.686 -6.100 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -3.146 -5.298 0.040 1.00 0.00 H new ATOM 1250 N ILE B 30 -2.067 -10.103 0.464 1.00 0.00 N ATOM 1251 CA ILE B 30 -1.373 -11.253 -0.078 1.00 0.00 C ATOM 1252 C ILE B 30 -2.332 -12.026 -0.968 1.00 0.00 C ATOM 1253 O ILE B 30 -2.041 -12.182 -2.148 1.00 0.00 O ATOM 1254 CB ILE B 30 -0.791 -12.132 1.041 1.00 0.00 C ATOM 1255 CG1 ILE B 30 0.186 -11.287 1.872 1.00 0.00 C ATOM 1256 CG2 ILE B 30 -0.083 -13.354 0.430 1.00 0.00 C ATOM 1257 CD1 ILE B 30 0.948 -12.117 2.899 1.00 0.00 C ATOM 0 H ILE B 30 -2.076 -10.082 1.484 1.00 0.00 H new ATOM 0 HA ILE B 30 -0.525 -10.921 -0.677 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.588 -12.496 1.689 1.00 0.00 H new ATOM 0 HG12 ILE B 30 0.896 -10.798 1.205 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -0.365 -10.498 2.384 1.00 0.00 H new ATOM 0 HG21 ILE B 30 0.327 -13.973 1.228 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -0.799 -13.937 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE B 30 0.724 -13.019 -0.221 1.00 0.00 H new ATOM 0 HD11 ILE B 30 1.625 -11.471 3.459 1.00 0.00 H new ATOM 0 HD12 ILE B 30 0.242 -12.585 3.585 1.00 0.00 H new ATOM 0 HD13 ILE B 30 1.523 -12.889 2.388 1.00 0.00 H new ATOM 1269 N LYS B 31 -3.465 -12.478 -0.411 1.00 0.00 N ATOM 1270 CA LYS B 31 -4.481 -13.217 -1.156 1.00 0.00 C ATOM 1271 C LYS B 31 -4.771 -12.610 -2.538 1.00 0.00 C ATOM 1272 O LYS B 31 -4.762 -13.337 -3.530 1.00 0.00 O ATOM 1273 CB LYS B 31 -5.764 -13.321 -0.316 1.00 0.00 C ATOM 1274 CG LYS B 31 -6.929 -14.026 -1.030 1.00 0.00 C ATOM 1275 CD LYS B 31 -6.601 -15.478 -1.404 1.00 0.00 C ATOM 1276 CE LYS B 31 -7.814 -16.192 -2.010 1.00 0.00 C ATOM 1277 NZ LYS B 31 -8.207 -15.608 -3.304 1.00 0.00 N ATOM 0 H LYS B 31 -3.698 -12.338 0.572 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.088 -14.216 -1.345 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -5.539 -13.858 0.606 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.081 -12.318 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.808 -14.011 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.186 -13.472 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.776 -15.493 -2.116 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.267 -16.016 -0.517 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.583 -17.249 -2.144 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.653 -16.134 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -8.976 -16.171 -3.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.533 -14.631 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -7.390 -15.609 -3.948 1.00 0.00 H new ATOM 1291 N GLU B 32 -5.001 -11.290 -2.614 1.00 0.00 N ATOM 1292 CA GLU B 32 -5.319 -10.610 -3.859 1.00 0.00 C ATOM 1293 C GLU B 32 -4.108 -10.430 -4.776 1.00 0.00 C ATOM 1294 O GLU B 32 -4.130 -10.917 -5.904 1.00 0.00 O ATOM 1295 CB GLU B 32 -5.988 -9.265 -3.546 1.00 0.00 C ATOM 1296 CG GLU B 32 -6.470 -8.535 -4.803 1.00 0.00 C ATOM 1297 CD GLU B 32 -7.454 -9.362 -5.629 1.00 0.00 C ATOM 1298 OE1 GLU B 32 -8.603 -9.515 -5.160 1.00 0.00 O ATOM 1299 OE2 GLU B 32 -7.040 -9.830 -6.712 1.00 0.00 O ATOM 0 H GLU B 32 -4.969 -10.670 -1.805 1.00 0.00 H new ATOM 0 HA GLU B 32 -6.011 -11.244 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -6.835 -9.432 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -5.283 -8.630 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.944 -7.597 -4.513 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -5.609 -8.279 -5.421 1.00 0.00 H new ATOM 1306 N LEU B 33 -3.067 -9.724 -4.313 1.00 0.00 N ATOM 1307 CA LEU B 33 -1.883 -9.447 -5.118 1.00 0.00 C ATOM 1308 C LEU B 33 -1.146 -10.711 -5.578 1.00 0.00 C ATOM 1309 O LEU B 33 -0.509 -10.676 -6.626 1.00 0.00 O ATOM 1310 CB LEU B 33 -0.940 -8.447 -4.425 1.00 0.00 C ATOM 1311 CG LEU B 33 -1.359 -6.962 -4.478 1.00 0.00 C ATOM 1312 CD1 LEU B 33 -1.729 -6.484 -5.889 1.00 0.00 C ATOM 1313 CD2 LEU B 33 -2.463 -6.600 -3.480 1.00 0.00 C ATOM 0 H LEU B 33 -3.028 -9.333 -3.372 1.00 0.00 H new ATOM 0 HA LEU B 33 -2.248 -8.974 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -0.842 -8.738 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU B 33 0.048 -8.540 -4.876 1.00 0.00 H new ATOM 0 HG LEU B 33 -0.461 -6.424 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -2.014 -5.432 -5.854 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -0.872 -6.606 -6.551 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -2.565 -7.074 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -2.706 -5.542 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -3.352 -7.196 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -2.118 -6.804 -2.466 1.00 0.00 H new ATOM 1325 N SER B 34 -1.229 -11.822 -4.835 1.00 0.00 N ATOM 1326 CA SER B 34 -0.595 -13.079 -5.223 1.00 0.00 C ATOM 1327 C SER B 34 -1.300 -13.692 -6.437 1.00 0.00 C ATOM 1328 O SER B 34 -0.661 -14.360 -7.248 1.00 0.00 O ATOM 1329 CB SER B 34 -0.585 -14.069 -4.052 1.00 0.00 C ATOM 1330 OG SER B 34 -1.897 -14.465 -3.708 1.00 0.00 O ATOM 0 H SER B 34 -1.737 -11.870 -3.952 1.00 0.00 H new ATOM 0 HA SER B 34 0.437 -12.864 -5.498 1.00 0.00 H new ATOM 0 HB2 SER B 34 0.005 -14.946 -4.319 1.00 0.00 H new ATOM 0 HB3 SER B 34 -0.102 -13.611 -3.189 1.00 0.00 H new ATOM 0 HG SER B 34 -2.282 -13.815 -3.084 1.00 0.00 H new ATOM 1336 N LYS B 35 -2.616 -13.469 -6.553 1.00 0.00 N ATOM 1337 CA LYS B 35 -3.438 -13.964 -7.646 1.00 0.00 C ATOM 1338 C LYS B 35 -3.057 -13.276 -8.956 1.00 0.00 C ATOM 1339 O LYS B 35 -2.878 -13.933 -9.980 1.00 0.00 O ATOM 1340 CB LYS B 35 -4.916 -13.692 -7.322 1.00 0.00 C ATOM 1341 CG LYS B 35 -5.857 -14.422 -8.287 1.00 0.00 C ATOM 1342 CD LYS B 35 -7.315 -14.151 -7.903 1.00 0.00 C ATOM 1343 CE LYS B 35 -8.266 -14.882 -8.855 1.00 0.00 C ATOM 1344 NZ LYS B 35 -9.673 -14.638 -8.497 1.00 0.00 N ATOM 0 H LYS B 35 -3.143 -12.926 -5.869 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.275 -15.036 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -5.128 -14.008 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -5.107 -12.620 -7.370 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -5.673 -14.089 -9.309 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -5.659 -15.493 -8.261 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -7.494 -14.478 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -7.512 -13.079 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -8.086 -14.551 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -8.061 -15.952 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -10.293 -15.146 -9.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -9.849 -14.977 -7.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -9.873 -13.619 -8.549 1.00 0.00 H new ATOM 1358 N THR B 36 -2.936 -11.946 -8.900 1.00 0.00 N ATOM 1359 CA THR B 36 -2.651 -11.084 -10.032 1.00 0.00 C ATOM 1360 C THR B 36 -1.157 -11.053 -10.371 1.00 0.00 C ATOM 1361 O THR B 36 -0.772 -11.449 -11.470 1.00 0.00 O ATOM 1362 CB THR B 36 -3.238 -9.691 -9.748 1.00 0.00 C ATOM 1363 OG1 THR B 36 -2.612 -9.094 -8.631 1.00 0.00 O ATOM 1364 CG2 THR B 36 -4.744 -9.790 -9.462 1.00 0.00 C ATOM 0 H THR B 36 -3.039 -11.428 -8.027 1.00 0.00 H new ATOM 0 HA THR B 36 -3.129 -11.483 -10.927 1.00 0.00 H new ATOM 0 HB THR B 36 -3.064 -9.079 -10.633 1.00 0.00 H new ATOM 0 HG1 THR B 36 -3.002 -8.209 -8.472 1.00 0.00 H new ATOM 0 HG21 THR B 36 -5.143 -8.795 -9.263 1.00 0.00 H new ATOM 0 HG22 THR B 36 -5.251 -10.218 -10.327 1.00 0.00 H new ATOM 0 HG23 THR B 36 -4.908 -10.427 -8.593 1.00 0.00 H new ATOM 1372 N SER B 37 -0.321 -10.597 -9.429 1.00 0.00 N ATOM 1373 CA SER B 37 1.124 -10.482 -9.583 1.00 0.00 C ATOM 1374 C SER B 37 1.835 -11.737 -9.077 1.00 0.00 C ATOM 1375 O SER B 37 1.259 -12.529 -8.333 1.00 0.00 O ATOM 1376 CB SER B 37 1.629 -9.245 -8.834 1.00 0.00 C ATOM 1377 OG SER B 37 0.970 -8.084 -9.290 1.00 0.00 O ATOM 0 H SER B 37 -0.648 -10.290 -8.513 1.00 0.00 H new ATOM 0 HA SER B 37 1.349 -10.376 -10.644 1.00 0.00 H new ATOM 0 HB2 SER B 37 1.462 -9.368 -7.764 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.704 -9.140 -8.979 1.00 0.00 H new ATOM 0 HG SER B 37 1.302 -7.305 -8.797 1.00 0.00 H new ATOM 1383 N THR B 38 3.097 -11.911 -9.494 1.00 0.00 N ATOM 1384 CA THR B 38 3.935 -13.044 -9.120 1.00 0.00 C ATOM 1385 C THR B 38 4.157 -13.059 -7.605 1.00 0.00 C ATOM 1386 O THR B 38 3.718 -13.998 -6.944 1.00 0.00 O ATOM 1387 CB THR B 38 5.261 -13.005 -9.900 1.00 0.00 C ATOM 1388 OG1 THR B 38 5.921 -11.766 -9.731 1.00 0.00 O ATOM 1389 CG2 THR B 38 5.029 -13.248 -11.396 1.00 0.00 C ATOM 0 H THR B 38 3.567 -11.251 -10.113 1.00 0.00 H new ATOM 0 HA THR B 38 3.429 -13.972 -9.385 1.00 0.00 H new ATOM 0 HB THR B 38 5.889 -13.801 -9.499 1.00 0.00 H new ATOM 0 HG1 THR B 38 6.761 -11.771 -10.236 1.00 0.00 H new ATOM 0 HG21 THR B 38 5.983 -13.215 -11.922 1.00 0.00 H new ATOM 0 HG22 THR B 38 4.570 -14.226 -11.539 1.00 0.00 H new ATOM 0 HG23 THR B 38 4.369 -12.476 -11.792 1.00 0.00 H new ATOM 1397 N TRP B 39 4.830 -12.013 -7.100 1.00 0.00 N ATOM 1398 CA TRP B 39 5.189 -11.700 -5.718 1.00 0.00 C ATOM 1399 C TRP B 39 4.675 -12.694 -4.669 1.00 0.00 C ATOM 1400 O TRP B 39 3.473 -12.767 -4.414 1.00 0.00 O ATOM 1401 CB TRP B 39 4.702 -10.282 -5.380 1.00 0.00 C ATOM 1402 CG TRP B 39 4.968 -9.192 -6.377 1.00 0.00 C ATOM 1403 CD1 TRP B 39 6.029 -9.108 -7.211 1.00 0.00 C ATOM 1404 CD2 TRP B 39 4.139 -8.030 -6.677 1.00 0.00 C ATOM 1405 NE1 TRP B 39 5.912 -7.992 -8.013 1.00 0.00 N ATOM 1406 CE2 TRP B 39 4.757 -7.292 -7.729 1.00 0.00 C ATOM 1407 CE3 TRP B 39 2.918 -7.529 -6.174 1.00 0.00 C ATOM 1408 CZ2 TRP B 39 4.188 -6.126 -8.262 1.00 0.00 C ATOM 1409 CZ3 TRP B 39 2.332 -6.368 -6.711 1.00 0.00 C ATOM 1410 CH2 TRP B 39 2.962 -5.668 -7.754 1.00 0.00 C ATOM 0 H TRP B 39 5.173 -11.286 -7.728 1.00 0.00 H new ATOM 0 HA TRP B 39 6.275 -11.773 -5.668 1.00 0.00 H new ATOM 0 HB2 TRP B 39 3.626 -10.329 -5.215 1.00 0.00 H new ATOM 0 HB3 TRP B 39 5.157 -9.989 -4.434 1.00 0.00 H new ATOM 0 HD1 TRP B 39 6.848 -9.811 -7.244 1.00 0.00 H new ATOM 0 HE1 TRP B 39 6.591 -7.719 -8.724 1.00 0.00 H new ATOM 0 HE3 TRP B 39 2.426 -8.046 -5.363 1.00 0.00 H new ATOM 0 HZ2 TRP B 39 4.687 -5.587 -9.054 1.00 0.00 H new ATOM 0 HZ3 TRP B 39 1.391 -6.012 -6.319 1.00 0.00 H new ATOM 0 HH2 TRP B 39 2.504 -4.780 -8.164 1.00 0.00 H new ATOM 1421 N SER B 40 5.594 -13.443 -4.049 1.00 0.00 N ATOM 1422 CA SER B 40 5.296 -14.420 -3.007 1.00 0.00 C ATOM 1423 C SER B 40 4.846 -13.706 -1.721 1.00 0.00 C ATOM 1424 O SER B 40 4.955 -12.483 -1.647 1.00 0.00 O ATOM 1425 CB SER B 40 6.565 -15.254 -2.779 1.00 0.00 C ATOM 1426 OG SER B 40 7.597 -14.449 -2.248 1.00 0.00 O ATOM 0 H SER B 40 6.589 -13.382 -4.267 1.00 0.00 H new ATOM 0 HA SER B 40 4.478 -15.075 -3.307 1.00 0.00 H new ATOM 0 HB2 SER B 40 6.349 -16.076 -2.097 1.00 0.00 H new ATOM 0 HB3 SER B 40 6.890 -15.698 -3.720 1.00 0.00 H new ATOM 0 HG SER B 40 8.398 -14.995 -2.107 1.00 0.00 H new ATOM 1432 N PRO B 41 4.337 -14.422 -0.699 1.00 0.00 N ATOM 1433 CA PRO B 41 3.923 -13.820 0.565 1.00 0.00 C ATOM 1434 C PRO B 41 5.041 -12.962 1.156 1.00 0.00 C ATOM 1435 O PRO B 41 4.808 -11.814 1.524 1.00 0.00 O ATOM 1436 CB PRO B 41 3.548 -14.999 1.468 1.00 0.00 C ATOM 1437 CG PRO B 41 3.047 -16.020 0.466 1.00 0.00 C ATOM 1438 CD PRO B 41 4.034 -15.845 -0.687 1.00 0.00 C ATOM 0 HA PRO B 41 3.079 -13.140 0.444 1.00 0.00 H new ATOM 0 HB2 PRO B 41 4.404 -15.368 2.033 1.00 0.00 H new ATOM 0 HB3 PRO B 41 2.780 -14.729 2.193 1.00 0.00 H new ATOM 0 HG2 PRO B 41 3.067 -17.032 0.870 1.00 0.00 H new ATOM 0 HG3 PRO B 41 2.021 -15.820 0.158 1.00 0.00 H new ATOM 0 HD2 PRO B 41 4.934 -16.440 -0.532 1.00 0.00 H new ATOM 0 HD3 PRO B 41 3.599 -16.165 -1.633 1.00 0.00 H new ATOM 1446 N LYS B 42 6.258 -13.521 1.196 1.00 0.00 N ATOM 1447 CA LYS B 42 7.465 -12.857 1.667 1.00 0.00 C ATOM 1448 C LYS B 42 7.654 -11.530 0.936 1.00 0.00 C ATOM 1449 O LYS B 42 7.848 -10.501 1.581 1.00 0.00 O ATOM 1450 CB LYS B 42 8.668 -13.771 1.412 1.00 0.00 C ATOM 1451 CG LYS B 42 8.752 -14.886 2.459 1.00 0.00 C ATOM 1452 CD LYS B 42 9.817 -15.912 2.052 1.00 0.00 C ATOM 1453 CE LYS B 42 10.257 -16.780 3.235 1.00 0.00 C ATOM 1454 NZ LYS B 42 9.122 -17.471 3.869 1.00 0.00 N ATOM 0 H LYS B 42 6.427 -14.479 0.890 1.00 0.00 H new ATOM 0 HA LYS B 42 7.377 -12.655 2.734 1.00 0.00 H new ATOM 0 HB2 LYS B 42 8.590 -14.209 0.417 1.00 0.00 H new ATOM 0 HB3 LYS B 42 9.585 -13.182 1.430 1.00 0.00 H new ATOM 0 HG2 LYS B 42 8.997 -14.463 3.433 1.00 0.00 H new ATOM 0 HG3 LYS B 42 7.783 -15.376 2.559 1.00 0.00 H new ATOM 0 HD2 LYS B 42 9.423 -16.550 1.261 1.00 0.00 H new ATOM 0 HD3 LYS B 42 10.683 -15.393 1.641 1.00 0.00 H new ATOM 0 HE2 LYS B 42 10.984 -17.517 2.893 1.00 0.00 H new ATOM 0 HE3 LYS B 42 10.760 -16.156 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 9.478 -18.148 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 8.509 -16.774 4.338 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 8.577 -17.980 3.144 1.00 0.00 H new ATOM 1468 N THR B 43 7.588 -11.564 -0.403 1.00 0.00 N ATOM 1469 CA THR B 43 7.735 -10.390 -1.247 1.00 0.00 C ATOM 1470 C THR B 43 6.667 -9.352 -0.929 1.00 0.00 C ATOM 1471 O THR B 43 7.013 -8.205 -0.654 1.00 0.00 O ATOM 1472 CB THR B 43 7.699 -10.783 -2.729 1.00 0.00 C ATOM 1473 OG1 THR B 43 8.748 -11.683 -3.009 1.00 0.00 O ATOM 1474 CG2 THR B 43 7.815 -9.562 -3.643 1.00 0.00 C ATOM 0 H THR B 43 7.429 -12.424 -0.928 1.00 0.00 H new ATOM 0 HA THR B 43 8.706 -9.940 -1.039 1.00 0.00 H new ATOM 0 HB THR B 43 6.737 -11.258 -2.923 1.00 0.00 H new ATOM 0 HG1 THR B 43 8.463 -12.595 -2.791 1.00 0.00 H new ATOM 0 HG21 THR B 43 7.786 -9.883 -4.684 1.00 0.00 H new ATOM 0 HG22 THR B 43 6.985 -8.882 -3.449 1.00 0.00 H new ATOM 0 HG23 THR B 43 8.757 -9.050 -3.448 1.00 0.00 H new ATOM 1482 N ILE B 44 5.388 -9.754 -0.963 1.00 0.00 N ATOM 1483 CA ILE B 44 4.275 -8.853 -0.714 1.00 0.00 C ATOM 1484 C ILE B 44 4.427 -8.138 0.619 1.00 0.00 C ATOM 1485 O ILE B 44 4.598 -6.928 0.612 1.00 0.00 O ATOM 1486 CB ILE B 44 2.904 -9.529 -0.876 1.00 0.00 C ATOM 1487 CG1 ILE B 44 2.727 -9.898 -2.362 1.00 0.00 C ATOM 1488 CG2 ILE B 44 1.819 -8.535 -0.407 1.00 0.00 C ATOM 1489 CD1 ILE B 44 1.519 -10.789 -2.648 1.00 0.00 C ATOM 0 H ILE B 44 5.106 -10.713 -1.164 1.00 0.00 H new ATOM 0 HA ILE B 44 4.309 -8.090 -1.491 1.00 0.00 H new ATOM 0 HB ILE B 44 2.824 -10.437 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE B 44 2.633 -8.981 -2.944 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.628 -10.405 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE B 44 0.836 -8.993 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE B 44 1.989 -8.278 0.638 1.00 0.00 H new ATOM 0 HG23 ILE B 44 1.866 -7.632 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE B 44 1.468 -11.001 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE B 44 1.618 -11.724 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.608 -10.278 -2.336 1.00 0.00 H new ATOM 1501 N GLN B 45 4.393 -8.868 1.738 1.00 0.00 N ATOM 1502 CA GLN B 45 4.491 -8.317 3.088 1.00 0.00 C ATOM 1503 C GLN B 45 5.617 -7.298 3.260 1.00 0.00 C ATOM 1504 O GLN B 45 5.510 -6.399 4.091 1.00 0.00 O ATOM 1505 CB GLN B 45 4.747 -9.463 4.081 1.00 0.00 C ATOM 1506 CG GLN B 45 3.581 -10.451 4.151 1.00 0.00 C ATOM 1507 CD GLN B 45 3.927 -11.767 4.856 1.00 0.00 C ATOM 1508 OE1 GLN B 45 3.197 -12.205 5.741 1.00 0.00 O ATOM 1509 NE2 GLN B 45 5.018 -12.422 4.451 1.00 0.00 N ATOM 0 H GLN B 45 4.294 -9.883 1.727 1.00 0.00 H new ATOM 0 HA GLN B 45 3.548 -7.803 3.275 1.00 0.00 H new ATOM 0 HB2 GLN B 45 5.653 -9.995 3.790 1.00 0.00 H new ATOM 0 HB3 GLN B 45 4.926 -9.047 5.072 1.00 0.00 H new ATOM 0 HG2 GLN B 45 2.748 -9.979 4.672 1.00 0.00 H new ATOM 0 HG3 GLN B 45 3.241 -10.670 3.139 1.00 0.00 H new ATOM 0 HE21 GLN B 45 5.603 -12.031 3.713 1.00 0.00 H new ATOM 0 HE22 GLN B 45 5.266 -13.314 4.880 1.00 0.00 H new ATOM 1518 N THR B 46 6.701 -7.466 2.500 1.00 0.00 N ATOM 1519 CA THR B 46 7.874 -6.618 2.540 1.00 0.00 C ATOM 1520 C THR B 46 7.778 -5.396 1.632 1.00 0.00 C ATOM 1521 O THR B 46 8.455 -4.406 1.903 1.00 0.00 O ATOM 1522 CB THR B 46 9.080 -7.493 2.255 1.00 0.00 C ATOM 1523 OG1 THR B 46 9.145 -8.410 3.326 1.00 0.00 O ATOM 1524 CG2 THR B 46 10.369 -6.682 2.170 1.00 0.00 C ATOM 0 H THR B 46 6.780 -8.223 1.821 1.00 0.00 H new ATOM 0 HA THR B 46 7.969 -6.176 3.532 1.00 0.00 H new ATOM 0 HB THR B 46 8.976 -7.990 1.290 1.00 0.00 H new ATOM 0 HG1 THR B 46 8.762 -9.267 3.046 1.00 0.00 H new ATOM 0 HG21 THR B 46 11.206 -7.349 1.965 1.00 0.00 H new ATOM 0 HG22 THR B 46 10.285 -5.948 1.368 1.00 0.00 H new ATOM 0 HG23 THR B 46 10.539 -6.168 3.116 1.00 0.00 H new ATOM 1532 N MET B 47 6.976 -5.443 0.558 1.00 0.00 N ATOM 1533 CA MET B 47 6.781 -4.278 -0.298 1.00 0.00 C ATOM 1534 C MET B 47 6.326 -3.134 0.606 1.00 0.00 C ATOM 1535 O MET B 47 6.914 -2.057 0.577 1.00 0.00 O ATOM 1536 CB MET B 47 5.760 -4.555 -1.412 1.00 0.00 C ATOM 1537 CG MET B 47 6.282 -5.628 -2.374 1.00 0.00 C ATOM 1538 SD MET B 47 5.193 -6.025 -3.770 1.00 0.00 S ATOM 1539 CE MET B 47 5.434 -4.555 -4.800 1.00 0.00 C ATOM 0 H MET B 47 6.458 -6.272 0.268 1.00 0.00 H new ATOM 0 HA MET B 47 7.710 -4.020 -0.806 1.00 0.00 H new ATOM 0 HB2 MET B 47 4.817 -4.881 -0.974 1.00 0.00 H new ATOM 0 HB3 MET B 47 5.556 -3.636 -1.961 1.00 0.00 H new ATOM 0 HG2 MET B 47 7.244 -5.300 -2.768 1.00 0.00 H new ATOM 0 HG3 MET B 47 6.464 -6.541 -1.807 1.00 0.00 H new ATOM 0 HE1 MET B 47 4.858 -4.657 -5.720 1.00 0.00 H new ATOM 0 HE2 MET B 47 5.098 -3.671 -4.257 1.00 0.00 H new ATOM 0 HE3 MET B 47 6.491 -4.451 -5.044 1.00 0.00 H new ATOM 1549 N LEU B 48 5.335 -3.419 1.461 1.00 0.00 N ATOM 1550 CA LEU B 48 4.769 -2.547 2.459 1.00 0.00 C ATOM 1551 C LEU B 48 5.816 -2.007 3.449 1.00 0.00 C ATOM 1552 O LEU B 48 5.739 -0.849 3.845 1.00 0.00 O ATOM 1553 CB LEU B 48 3.797 -3.436 3.222 1.00 0.00 C ATOM 1554 CG LEU B 48 2.509 -3.841 2.477 1.00 0.00 C ATOM 1555 CD1 LEU B 48 1.459 -2.732 2.595 1.00 0.00 C ATOM 1556 CD2 LEU B 48 2.559 -4.338 1.043 1.00 0.00 C ATOM 0 H LEU B 48 4.886 -4.335 1.461 1.00 0.00 H new ATOM 0 HA LEU B 48 4.316 -1.674 1.988 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.323 -4.345 3.514 1.00 0.00 H new ATOM 0 HB3 LEU B 48 3.513 -2.922 4.141 1.00 0.00 H new ATOM 0 HG LEU B 48 2.255 -4.757 3.011 1.00 0.00 H new ATOM 0 HD11 LEU B 48 0.554 -3.030 2.065 1.00 0.00 H new ATOM 0 HD12 LEU B 48 1.225 -2.563 3.646 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.850 -1.813 2.158 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.550 -4.570 0.703 1.00 0.00 H new ATOM 0 HD22 LEU B 48 2.988 -3.566 0.405 1.00 0.00 H new ATOM 0 HD23 LEU B 48 3.175 -5.236 0.990 1.00 0.00 H new ATOM 1568 N LEU B 49 6.763 -2.851 3.882 1.00 0.00 N ATOM 1569 CA LEU B 49 7.815 -2.511 4.844 1.00 0.00 C ATOM 1570 C LEU B 49 8.503 -1.167 4.584 1.00 0.00 C ATOM 1571 O LEU B 49 8.700 -0.398 5.521 1.00 0.00 O ATOM 1572 CB LEU B 49 8.834 -3.639 4.968 1.00 0.00 C ATOM 1573 CG LEU B 49 9.819 -3.410 6.122 1.00 0.00 C ATOM 1574 CD1 LEU B 49 9.142 -3.267 7.490 1.00 0.00 C ATOM 1575 CD2 LEU B 49 10.736 -4.621 6.167 1.00 0.00 C ATOM 0 H LEU B 49 6.818 -3.818 3.561 1.00 0.00 H new ATOM 0 HA LEU B 49 7.303 -2.390 5.799 1.00 0.00 H new ATOM 0 HB2 LEU B 49 8.311 -4.583 5.122 1.00 0.00 H new ATOM 0 HB3 LEU B 49 9.388 -3.730 4.033 1.00 0.00 H new ATOM 0 HG LEU B 49 10.346 -2.474 5.936 1.00 0.00 H new ATOM 0 HD11 LEU B 49 9.900 -3.108 8.256 1.00 0.00 H new ATOM 0 HD12 LEU B 49 8.460 -2.417 7.472 1.00 0.00 H new ATOM 0 HD13 LEU B 49 8.583 -4.175 7.716 1.00 0.00 H new ATOM 0 HD21 LEU B 49 11.457 -4.502 6.976 1.00 0.00 H new ATOM 0 HD22 LEU B 49 10.144 -5.520 6.338 1.00 0.00 H new ATOM 0 HD23 LEU B 49 11.267 -4.711 5.219 1.00 0.00 H new ATOM 1587 N ARG B 50 8.890 -0.876 3.336 1.00 0.00 N ATOM 1588 CA ARG B 50 9.535 0.388 3.015 1.00 0.00 C ATOM 1589 C ARG B 50 8.528 1.532 3.092 1.00 0.00 C ATOM 1590 O ARG B 50 8.879 2.597 3.591 1.00 0.00 O ATOM 1591 CB ARG B 50 10.296 0.309 1.694 1.00 0.00 C ATOM 1592 CG ARG B 50 11.529 -0.589 1.858 1.00 0.00 C ATOM 1593 CD ARG B 50 12.615 0.075 2.709 1.00 0.00 C ATOM 1594 NE ARG B 50 12.700 -0.535 4.044 1.00 0.00 N ATOM 1595 CZ ARG B 50 13.267 -1.727 4.304 1.00 0.00 C ATOM 1596 NH1 ARG B 50 13.864 -2.433 3.333 1.00 0.00 N ATOM 1597 NH2 ARG B 50 13.234 -2.225 5.547 1.00 0.00 N ATOM 0 H ARG B 50 8.765 -1.501 2.540 1.00 0.00 H new ATOM 0 HA ARG B 50 10.297 0.603 3.764 1.00 0.00 H new ATOM 0 HB2 ARG B 50 9.647 -0.088 0.913 1.00 0.00 H new ATOM 0 HB3 ARG B 50 10.601 1.307 1.379 1.00 0.00 H new ATOM 0 HG2 ARG B 50 11.232 -1.531 2.320 1.00 0.00 H new ATOM 0 HG3 ARG B 50 11.935 -0.830 0.876 1.00 0.00 H new ATOM 0 HD2 ARG B 50 13.578 -0.013 2.206 1.00 0.00 H new ATOM 0 HD3 ARG B 50 12.402 1.140 2.807 1.00 0.00 H new ATOM 0 HE ARG B 50 12.301 -0.018 4.828 1.00 0.00 H new ATOM 0 HH11 ARG B 50 13.893 -2.068 2.381 1.00 0.00 H new ATOM 0 HH12 ARG B 50 14.289 -3.335 3.546 1.00 0.00 H new ATOM 0 HH21 ARG B 50 12.779 -1.701 6.295 1.00 0.00 H new ATOM 0 HH22 ARG B 50 13.663 -3.129 5.746 1.00 0.00 H new ATOM 1611 N LEU B 51 7.288 1.324 2.625 1.00 0.00 N ATOM 1612 CA LEU B 51 6.212 2.288 2.753 1.00 0.00 C ATOM 1613 C LEU B 51 6.020 2.637 4.236 1.00 0.00 C ATOM 1614 O LEU B 51 5.694 3.771 4.554 1.00 0.00 O ATOM 1615 CB LEU B 51 4.943 1.741 2.085 1.00 0.00 C ATOM 1616 CG LEU B 51 4.993 1.859 0.554 1.00 0.00 C ATOM 1617 CD1 LEU B 51 6.125 1.132 -0.158 1.00 0.00 C ATOM 1618 CD2 LEU B 51 3.659 1.377 -0.032 1.00 0.00 C ATOM 0 H LEU B 51 7.012 0.468 2.144 1.00 0.00 H new ATOM 0 HA LEU B 51 6.457 3.216 2.236 1.00 0.00 H new ATOM 0 HB2 LEU B 51 4.811 0.695 2.362 1.00 0.00 H new ATOM 0 HB3 LEU B 51 4.075 2.283 2.461 1.00 0.00 H new ATOM 0 HG LEU B 51 5.186 2.917 0.375 1.00 0.00 H new ATOM 0 HD11 LEU B 51 6.044 1.297 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU B 51 7.082 1.514 0.197 1.00 0.00 H new ATOM 0 HD13 LEU B 51 6.060 0.064 0.051 1.00 0.00 H new ATOM 0 HD21 LEU B 51 3.688 1.458 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU B 51 3.492 0.337 0.250 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.848 1.993 0.356 1.00 0.00 H new ATOM 1630 N ILE B 52 6.243 1.693 5.158 1.00 0.00 N ATOM 1631 CA ILE B 52 6.188 1.964 6.591 1.00 0.00 C ATOM 1632 C ILE B 52 7.365 2.851 7.011 1.00 0.00 C ATOM 1633 O ILE B 52 7.164 3.834 7.724 1.00 0.00 O ATOM 1634 CB ILE B 52 6.131 0.649 7.383 1.00 0.00 C ATOM 1635 CG1 ILE B 52 4.828 -0.089 7.044 1.00 0.00 C ATOM 1636 CG2 ILE B 52 6.199 0.928 8.893 1.00 0.00 C ATOM 1637 CD1 ILE B 52 4.894 -1.570 7.418 1.00 0.00 C ATOM 0 H ILE B 52 6.466 0.724 4.928 1.00 0.00 H new ATOM 0 HA ILE B 52 5.275 2.514 6.819 1.00 0.00 H new ATOM 0 HB ILE B 52 6.985 0.029 7.109 1.00 0.00 H new ATOM 0 HG12 ILE B 52 3.998 0.381 7.571 1.00 0.00 H new ATOM 0 HG13 ILE B 52 4.624 0.007 5.978 1.00 0.00 H new ATOM 0 HG21 ILE B 52 6.157 -0.014 9.439 1.00 0.00 H new ATOM 0 HG22 ILE B 52 7.131 1.442 9.126 1.00 0.00 H new ATOM 0 HG23 ILE B 52 5.356 1.554 9.186 1.00 0.00 H new ATOM 0 HD11 ILE B 52 3.951 -2.053 7.161 1.00 0.00 H new ATOM 0 HD12 ILE B 52 5.707 -2.047 6.871 1.00 0.00 H new ATOM 0 HD13 ILE B 52 5.071 -1.667 8.489 1.00 0.00 H new ATOM 1649 N LYS B 53 8.583 2.515 6.567 1.00 0.00 N ATOM 1650 CA LYS B 53 9.798 3.242 6.912 1.00 0.00 C ATOM 1651 C LYS B 53 9.816 4.677 6.373 1.00 0.00 C ATOM 1652 O LYS B 53 10.128 5.600 7.124 1.00 0.00 O ATOM 1653 CB LYS B 53 11.012 2.446 6.410 1.00 0.00 C ATOM 1654 CG LYS B 53 12.325 3.071 6.896 1.00 0.00 C ATOM 1655 CD LYS B 53 13.559 2.346 6.344 1.00 0.00 C ATOM 1656 CE LYS B 53 13.794 1.000 7.036 1.00 0.00 C ATOM 1657 NZ LYS B 53 15.004 0.341 6.517 1.00 0.00 N ATOM 0 H LYS B 53 8.748 1.719 5.950 1.00 0.00 H new ATOM 0 HA LYS B 53 9.836 3.338 7.997 1.00 0.00 H new ATOM 0 HB2 LYS B 53 10.945 1.416 6.761 1.00 0.00 H new ATOM 0 HB3 LYS B 53 11.003 2.413 5.321 1.00 0.00 H new ATOM 0 HG2 LYS B 53 12.358 4.118 6.596 1.00 0.00 H new ATOM 0 HG3 LYS B 53 12.352 3.050 7.985 1.00 0.00 H new ATOM 0 HD2 LYS B 53 13.436 2.186 5.273 1.00 0.00 H new ATOM 0 HD3 LYS B 53 14.438 2.978 6.473 1.00 0.00 H new ATOM 0 HE2 LYS B 53 13.892 1.152 8.111 1.00 0.00 H new ATOM 0 HE3 LYS B 53 12.930 0.353 6.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 15.139 -0.569 7.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 14.898 0.176 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 15.830 0.950 6.685 1.00 0.00 H new ATOM 1671 N LYS B 54 9.465 4.869 5.094 1.00 0.00 N ATOM 1672 CA LYS B 54 9.477 6.171 4.435 1.00 0.00 C ATOM 1673 C LYS B 54 8.129 6.891 4.551 1.00 0.00 C ATOM 1674 O LYS B 54 8.076 8.107 4.370 1.00 0.00 O ATOM 1675 CB LYS B 54 9.963 6.003 2.992 1.00 0.00 C ATOM 1676 CG LYS B 54 11.405 5.468 2.989 1.00 0.00 C ATOM 1677 CD LYS B 54 11.924 5.229 1.568 1.00 0.00 C ATOM 1678 CE LYS B 54 13.370 4.720 1.567 1.00 0.00 C ATOM 1679 NZ LYS B 54 14.312 5.724 2.089 1.00 0.00 N ATOM 0 H LYS B 54 9.161 4.110 4.484 1.00 0.00 H new ATOM 0 HA LYS B 54 10.181 6.827 4.947 1.00 0.00 H new ATOM 0 HB2 LYS B 54 9.309 5.316 2.456 1.00 0.00 H new ATOM 0 HB3 LYS B 54 9.918 6.959 2.470 1.00 0.00 H new ATOM 0 HG2 LYS B 54 12.056 6.178 3.498 1.00 0.00 H new ATOM 0 HG3 LYS B 54 11.447 4.536 3.552 1.00 0.00 H new ATOM 0 HD2 LYS B 54 11.284 4.505 1.064 1.00 0.00 H new ATOM 0 HD3 LYS B 54 11.865 6.157 0.999 1.00 0.00 H new ATOM 0 HE2 LYS B 54 13.435 3.814 2.170 1.00 0.00 H new ATOM 0 HE3 LYS B 54 13.657 4.448 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 15.288 5.400 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 14.163 6.628 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 14.152 5.853 3.108 1.00 0.00 H new ATOM 1693 N GLY B 55 7.056 6.157 4.879 1.00 0.00 N ATOM 1694 CA GLY B 55 5.743 6.707 5.174 1.00 0.00 C ATOM 1695 C GLY B 55 4.627 6.668 4.126 1.00 0.00 C ATOM 1696 O GLY B 55 3.731 7.497 4.275 1.00 0.00 O ATOM 0 H GLY B 55 7.087 5.140 4.946 1.00 0.00 H new ATOM 0 HA2 GLY B 55 5.370 6.191 6.059 1.00 0.00 H new ATOM 0 HA3 GLY B 55 5.887 7.751 5.451 1.00 0.00 H new ATOM 1700 N ALA B 56 4.593 5.785 3.103 1.00 0.00 N ATOM 1701 CA ALA B 56 3.405 5.800 2.247 1.00 0.00 C ATOM 1702 C ALA B 56 2.206 5.218 3.019 1.00 0.00 C ATOM 1703 O ALA B 56 1.133 5.812 3.019 1.00 0.00 O ATOM 1704 CB ALA B 56 3.631 5.050 0.937 1.00 0.00 C ATOM 0 H ALA B 56 5.317 5.106 2.867 1.00 0.00 H new ATOM 0 HA ALA B 56 3.192 6.835 1.979 1.00 0.00 H new ATOM 0 HB1 ALA B 56 2.723 5.088 0.335 1.00 0.00 H new ATOM 0 HB2 ALA B 56 4.450 5.515 0.388 1.00 0.00 H new ATOM 0 HB3 ALA B 56 3.881 4.011 1.151 1.00 0.00 H new ATOM 1710 N LEU B 57 2.400 4.070 3.686 1.00 0.00 N ATOM 1711 CA LEU B 57 1.414 3.330 4.482 1.00 0.00 C ATOM 1712 C LEU B 57 1.996 3.069 5.878 1.00 0.00 C ATOM 1713 O LEU B 57 3.202 3.197 6.060 1.00 0.00 O ATOM 1714 CB LEU B 57 1.147 1.973 3.810 1.00 0.00 C ATOM 1715 CG LEU B 57 0.078 1.936 2.704 1.00 0.00 C ATOM 1716 CD1 LEU B 57 0.154 3.047 1.649 1.00 0.00 C ATOM 1717 CD2 LEU B 57 0.209 0.590 1.993 1.00 0.00 C ATOM 0 H LEU B 57 3.308 3.606 3.682 1.00 0.00 H new ATOM 0 HA LEU B 57 0.492 3.906 4.555 1.00 0.00 H new ATOM 0 HB2 LEU B 57 2.085 1.615 3.386 1.00 0.00 H new ATOM 0 HB3 LEU B 57 0.857 1.263 4.585 1.00 0.00 H new ATOM 0 HG LEU B 57 -0.878 2.089 3.204 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -0.649 2.916 0.924 1.00 0.00 H new ATOM 0 HD12 LEU B 57 0.050 4.017 2.134 1.00 0.00 H new ATOM 0 HD13 LEU B 57 1.116 2.998 1.138 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -0.535 0.524 1.199 1.00 0.00 H new ATOM 0 HD22 LEU B 57 1.207 0.501 1.564 1.00 0.00 H new ATOM 0 HD23 LEU B 57 0.048 -0.217 2.708 1.00 0.00 H new ATOM 1729 N ASN B 58 1.150 2.742 6.870 1.00 0.00 N ATOM 1730 CA ASN B 58 1.571 2.406 8.233 1.00 0.00 C ATOM 1731 C ASN B 58 0.722 1.263 8.801 1.00 0.00 C ATOM 1732 O ASN B 58 -0.459 1.185 8.471 1.00 0.00 O ATOM 1733 CB ASN B 58 1.498 3.653 9.124 1.00 0.00 C ATOM 1734 CG ASN B 58 2.069 3.386 10.516 1.00 0.00 C ATOM 1735 OD1 ASN B 58 1.331 3.337 11.497 1.00 0.00 O ATOM 1736 ND2 ASN B 58 3.390 3.209 10.606 1.00 0.00 N ATOM 0 H ASN B 58 0.139 2.704 6.741 1.00 0.00 H new ATOM 0 HA ASN B 58 2.605 2.061 8.208 1.00 0.00 H new ATOM 0 HB2 ASN B 58 2.049 4.468 8.655 1.00 0.00 H new ATOM 0 HB3 ASN B 58 0.461 3.978 9.212 1.00 0.00 H new ATOM 0 HD21 ASN B 58 3.819 3.026 11.513 1.00 0.00 H new ATOM 0 HD22 ASN B 58 3.969 3.257 9.768 1.00 0.00 H new ATOM 1743 N HIS B 59 1.275 0.420 9.694 1.00 0.00 N ATOM 1744 CA HIS B 59 0.535 -0.683 10.296 1.00 0.00 C ATOM 1745 C HIS B 59 -0.090 -0.293 11.634 1.00 0.00 C ATOM 1746 O HIS B 59 0.442 0.540 12.367 1.00 0.00 O ATOM 1747 CB HIS B 59 1.462 -1.889 10.495 1.00 0.00 C ATOM 1748 CG HIS B 59 2.856 -1.601 10.994 1.00 0.00 C ATOM 1749 ND1 HIS B 59 3.125 -0.634 11.963 1.00 0.00 N ATOM 1750 CD2 HIS B 59 4.033 -2.180 10.605 1.00 0.00 C ATOM 1751 CE1 HIS B 59 4.452 -0.660 12.110 1.00 0.00 C ATOM 1752 NE2 HIS B 59 5.042 -1.575 11.324 1.00 0.00 N ATOM 0 H HIS B 59 2.242 0.492 10.011 1.00 0.00 H new ATOM 0 HA HIS B 59 -0.274 -0.943 9.613 1.00 0.00 H new ATOM 0 HB2 HIS B 59 0.984 -2.572 11.197 1.00 0.00 H new ATOM 0 HB3 HIS B 59 1.544 -2.415 9.544 1.00 0.00 H new ATOM 0 HD1 HIS B 59 2.456 -0.039 12.451 1.00 0.00 H new ATOM 0 HD2 HIS B 59 4.150 -2.964 9.872 1.00 0.00 H new ATOM 0 HE1 HIS B 59 4.992 -0.015 12.787 1.00 0.00 H new ATOM 1760 N HIS B 60 -1.244 -0.911 11.922 1.00 0.00 N ATOM 1761 CA HIS B 60 -2.011 -0.719 13.143 1.00 0.00 C ATOM 1762 C HIS B 60 -2.623 -2.043 13.594 1.00 0.00 C ATOM 1763 O HIS B 60 -3.515 -2.563 12.928 1.00 0.00 O ATOM 1764 CB HIS B 60 -3.061 0.362 12.962 1.00 0.00 C ATOM 1765 CG HIS B 60 -2.491 1.752 12.831 1.00 0.00 C ATOM 1766 ND1 HIS B 60 -2.207 2.314 11.587 1.00 0.00 N ATOM 1767 CD2 HIS B 60 -2.145 2.644 13.811 1.00 0.00 C ATOM 1768 CE1 HIS B 60 -1.720 3.527 11.865 1.00 0.00 C ATOM 1769 NE2 HIS B 60 -1.655 3.771 13.184 1.00 0.00 N ATOM 0 H HIS B 60 -1.677 -1.579 11.284 1.00 0.00 H new ATOM 0 HA HIS B 60 -1.339 -0.378 13.931 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -3.651 0.137 12.074 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -3.743 0.338 13.812 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -2.238 2.493 14.876 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -1.412 4.235 11.110 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -1.312 4.620 13.633 1.00 0.00 H new ATOM 1777 N LYS B 61 -2.187 -2.540 14.761 1.00 0.00 N ATOM 1778 CA LYS B 61 -2.638 -3.797 15.339 1.00 0.00 C ATOM 1779 C LYS B 61 -3.948 -3.600 16.108 1.00 0.00 C ATOM 1780 O LYS B 61 -3.974 -3.168 17.258 1.00 0.00 O ATOM 1781 CB LYS B 61 -1.521 -4.444 16.179 1.00 0.00 C ATOM 1782 CG LYS B 61 -0.902 -3.563 17.275 1.00 0.00 C ATOM 1783 CD LYS B 61 0.227 -4.327 17.977 1.00 0.00 C ATOM 1784 CE LYS B 61 0.831 -3.522 19.133 1.00 0.00 C ATOM 1785 NZ LYS B 61 1.500 -2.296 18.664 1.00 0.00 N ATOM 0 H LYS B 61 -1.494 -2.061 15.336 1.00 0.00 H new ATOM 0 HA LYS B 61 -2.860 -4.502 14.538 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -1.921 -5.343 16.647 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -0.726 -4.762 15.505 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -0.515 -2.642 16.839 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -1.665 -3.277 17.999 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -0.157 -5.274 18.356 1.00 0.00 H new ATOM 0 HD3 LYS B 61 1.007 -4.566 17.254 1.00 0.00 H new ATOM 0 HE2 LYS B 61 0.045 -3.258 19.840 1.00 0.00 H new ATOM 0 HE3 LYS B 61 1.548 -4.143 19.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 1.966 -1.826 19.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 2.211 -2.542 17.946 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 0.796 -1.653 18.249 1.00 0.00 H new ATOM 1799 N GLU B 62 -5.044 -3.937 15.416 1.00 0.00 N ATOM 1800 CA GLU B 62 -6.419 -3.890 15.881 1.00 0.00 C ATOM 1801 C GLU B 62 -6.728 -5.210 16.587 1.00 0.00 C ATOM 1802 O GLU B 62 -6.265 -6.255 16.131 1.00 0.00 O ATOM 1803 CB GLU B 62 -7.365 -3.651 14.693 1.00 0.00 C ATOM 1804 CG GLU B 62 -8.828 -3.560 15.125 1.00 0.00 C ATOM 1805 CD GLU B 62 -9.773 -3.216 13.973 1.00 0.00 C ATOM 1806 OE1 GLU B 62 -9.421 -3.534 12.817 1.00 0.00 O ATOM 1807 OE2 GLU B 62 -10.847 -2.650 14.273 1.00 0.00 O ATOM 0 H GLU B 62 -4.980 -4.270 14.454 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.563 -3.068 16.582 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -7.081 -2.730 14.185 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -7.251 -4.461 13.972 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -9.131 -4.511 15.564 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -8.924 -2.804 15.904 1.00 0.00 H new ATOM 1814 N GLY B 63 -7.439 -5.132 17.725 1.00 0.00 N ATOM 1815 CA GLY B 63 -7.873 -6.232 18.587 1.00 0.00 C ATOM 1816 C GLY B 63 -7.974 -7.593 17.893 1.00 0.00 C ATOM 1817 O GLY B 63 -7.464 -8.582 18.418 1.00 0.00 O ATOM 0 H GLY B 63 -7.745 -4.229 18.088 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -7.177 -6.317 19.422 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -8.847 -5.982 19.008 1.00 0.00 H new ATOM 1821 N ARG B 64 -8.628 -7.639 16.723 1.00 0.00 N ATOM 1822 CA ARG B 64 -8.766 -8.840 15.913 1.00 0.00 C ATOM 1823 C ARG B 64 -7.377 -9.237 15.396 1.00 0.00 C ATOM 1824 O ARG B 64 -6.701 -10.052 16.022 1.00 0.00 O ATOM 1825 CB ARG B 64 -9.773 -8.593 14.786 1.00 0.00 C ATOM 1826 CG ARG B 64 -11.155 -8.271 15.368 1.00 0.00 C ATOM 1827 CD ARG B 64 -12.226 -8.350 14.279 1.00 0.00 C ATOM 1828 NE ARG B 64 -11.935 -7.469 13.140 1.00 0.00 N ATOM 1829 CZ ARG B 64 -12.033 -6.128 13.138 1.00 0.00 C ATOM 1830 NH1 ARG B 64 -12.451 -5.456 14.221 1.00 0.00 N ATOM 1831 NH2 ARG B 64 -11.704 -5.449 12.030 1.00 0.00 N ATOM 0 H ARG B 64 -9.081 -6.823 16.313 1.00 0.00 H new ATOM 0 HA ARG B 64 -9.157 -9.670 16.502 1.00 0.00 H new ATOM 0 HB2 ARG B 64 -9.433 -7.768 14.160 1.00 0.00 H new ATOM 0 HB3 ARG B 64 -9.836 -9.473 14.146 1.00 0.00 H new ATOM 0 HG2 ARG B 64 -11.391 -8.971 16.170 1.00 0.00 H new ATOM 0 HG3 ARG B 64 -11.148 -7.274 15.808 1.00 0.00 H new ATOM 0 HD2 ARG B 64 -12.307 -9.379 13.927 1.00 0.00 H new ATOM 0 HD3 ARG B 64 -13.193 -8.081 14.704 1.00 0.00 H new ATOM 0 HE ARG B 64 -11.632 -7.914 12.274 1.00 0.00 H new ATOM 0 HH11 ARG B 64 -12.703 -5.963 15.070 1.00 0.00 H new ATOM 0 HH12 ARG B 64 -12.517 -4.438 14.196 1.00 0.00 H new ATOM 0 HH21 ARG B 64 -11.384 -5.950 11.201 1.00 0.00 H new ATOM 0 HH22 ARG B 64 -11.774 -4.432 12.016 1.00 0.00 H new ATOM 1845 N VAL B 65 -6.949 -8.660 14.264 1.00 0.00 N ATOM 1846 CA VAL B 65 -5.686 -8.810 13.607 1.00 0.00 C ATOM 1847 C VAL B 65 -5.412 -7.389 13.069 1.00 0.00 C ATOM 1848 O VAL B 65 -6.284 -6.521 13.134 1.00 0.00 O ATOM 1849 CB VAL B 65 -5.784 -9.937 12.561 1.00 0.00 C ATOM 1850 CG1 VAL B 65 -6.178 -11.281 13.192 1.00 0.00 C ATOM 1851 CG2 VAL B 65 -6.761 -9.629 11.407 1.00 0.00 C ATOM 0 H VAL B 65 -7.554 -8.018 13.753 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.848 -9.130 14.227 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.779 -10.005 12.145 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -6.235 -12.045 12.416 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -5.430 -11.569 13.931 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -7.149 -11.184 13.677 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -6.777 -10.467 10.710 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -7.762 -9.472 11.810 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -6.435 -8.729 10.885 1.00 0.00 H new ATOM 1861 N PHE B 66 -4.237 -7.122 12.507 1.00 0.00 N ATOM 1862 CA PHE B 66 -3.845 -5.786 12.069 1.00 0.00 C ATOM 1863 C PHE B 66 -4.386 -5.355 10.721 1.00 0.00 C ATOM 1864 O PHE B 66 -4.748 -6.171 9.879 1.00 0.00 O ATOM 1865 CB PHE B 66 -2.331 -5.604 12.023 1.00 0.00 C ATOM 1866 CG PHE B 66 -1.743 -5.427 10.626 1.00 0.00 C ATOM 1867 CD1 PHE B 66 -1.863 -6.414 9.626 1.00 0.00 C ATOM 1868 CD2 PHE B 66 -1.213 -4.181 10.263 1.00 0.00 C ATOM 1869 CE1 PHE B 66 -1.089 -6.336 8.473 1.00 0.00 C ATOM 1870 CE2 PHE B 66 -0.587 -4.037 9.020 1.00 0.00 C ATOM 1871 CZ PHE B 66 -0.378 -5.167 8.219 1.00 0.00 C ATOM 0 H PHE B 66 -3.524 -7.832 12.341 1.00 0.00 H new ATOM 0 HA PHE B 66 -4.298 -5.155 12.834 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -2.067 -4.734 12.625 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -1.862 -6.470 12.491 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -2.557 -7.231 9.756 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -1.287 -3.340 10.937 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -1.041 -7.168 7.787 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -0.268 -3.063 8.681 1.00 0.00 H new ATOM 0 HZ PHE B 66 0.333 -5.131 7.407 1.00 0.00 H new ATOM 1881 N VAL B 67 -4.504 -4.037 10.581 1.00 0.00 N ATOM 1882 CA VAL B 67 -4.868 -3.367 9.388 1.00 0.00 C ATOM 1883 C VAL B 67 -3.774 -2.360 9.013 1.00 0.00 C ATOM 1884 O VAL B 67 -3.251 -1.630 9.854 1.00 0.00 O ATOM 1885 CB VAL B 67 -6.226 -2.733 9.609 1.00 0.00 C ATOM 1886 CG1 VAL B 67 -7.153 -3.663 10.396 1.00 0.00 C ATOM 1887 CG2 VAL B 67 -6.157 -1.333 10.211 1.00 0.00 C ATOM 0 H VAL B 67 -4.333 -3.394 11.355 1.00 0.00 H new ATOM 0 HA VAL B 67 -4.952 -4.051 8.543 1.00 0.00 H new ATOM 0 HB VAL B 67 -6.662 -2.593 8.620 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -8.119 -3.179 10.538 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -7.290 -4.592 9.843 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -6.710 -3.881 11.368 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -7.166 -0.943 10.341 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -5.658 -1.377 11.179 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -5.597 -0.677 9.544 1.00 0.00 H new ATOM 1897 N TYR B 68 -3.501 -2.305 7.714 1.00 0.00 N ATOM 1898 CA TYR B 68 -2.541 -1.389 7.089 1.00 0.00 C ATOM 1899 C TYR B 68 -3.370 -0.185 6.624 1.00 0.00 C ATOM 1900 O TYR B 68 -4.294 -0.326 5.823 1.00 0.00 O ATOM 1901 CB TYR B 68 -1.978 -1.963 5.773 1.00 0.00 C ATOM 1902 CG TYR B 68 -0.796 -2.903 5.805 1.00 0.00 C ATOM 1903 CD1 TYR B 68 0.449 -2.446 6.280 1.00 0.00 C ATOM 1904 CD2 TYR B 68 -0.846 -4.076 5.029 1.00 0.00 C ATOM 1905 CE1 TYR B 68 1.591 -3.256 6.144 1.00 0.00 C ATOM 1906 CE2 TYR B 68 0.319 -4.822 4.796 1.00 0.00 C ATOM 1907 CZ TYR B 68 1.522 -4.460 5.423 1.00 0.00 C ATOM 1908 OH TYR B 68 2.591 -5.309 5.399 1.00 0.00 O ATOM 0 H TYR B 68 -3.957 -2.918 7.038 1.00 0.00 H new ATOM 0 HA TYR B 68 -1.737 -1.184 7.796 1.00 0.00 H new ATOM 0 HB2 TYR B 68 -2.793 -2.484 5.271 1.00 0.00 H new ATOM 0 HB3 TYR B 68 -1.703 -1.118 5.142 1.00 0.00 H new ATOM 0 HD1 TYR B 68 0.527 -1.476 6.748 1.00 0.00 H new ATOM 0 HD2 TYR B 68 -1.786 -4.404 4.611 1.00 0.00 H new ATOM 0 HE1 TYR B 68 2.524 -2.951 6.595 1.00 0.00 H new ATOM 0 HE2 TYR B 68 0.291 -5.675 4.134 1.00 0.00 H new ATOM 0 HH TYR B 68 2.373 -6.094 4.855 1.00 0.00 H new ATOM 1918 N THR B 69 -3.006 0.998 7.135 1.00 0.00 N ATOM 1919 CA THR B 69 -3.668 2.272 6.895 1.00 0.00 C ATOM 1920 C THR B 69 -2.895 3.149 5.899 1.00 0.00 C ATOM 1921 O THR B 69 -1.742 3.486 6.168 1.00 0.00 O ATOM 1922 CB THR B 69 -3.820 3.015 8.234 1.00 0.00 C ATOM 1923 OG1 THR B 69 -2.556 3.302 8.797 1.00 0.00 O ATOM 1924 CG2 THR B 69 -4.646 2.214 9.248 1.00 0.00 C ATOM 0 H THR B 69 -2.202 1.089 7.756 1.00 0.00 H new ATOM 0 HA THR B 69 -4.645 2.069 6.456 1.00 0.00 H new ATOM 0 HB THR B 69 -4.347 3.944 8.015 1.00 0.00 H new ATOM 0 HG1 THR B 69 -2.457 2.816 9.642 1.00 0.00 H new ATOM 0 HG21 THR B 69 -4.727 2.777 10.178 1.00 0.00 H new ATOM 0 HG22 THR B 69 -5.643 2.035 8.845 1.00 0.00 H new ATOM 0 HG23 THR B 69 -4.157 1.260 9.443 1.00 0.00 H new ATOM 1932 N PRO B 70 -3.496 3.539 4.759 1.00 0.00 N ATOM 1933 CA PRO B 70 -2.868 4.430 3.793 1.00 0.00 C ATOM 1934 C PRO B 70 -2.601 5.803 4.416 1.00 0.00 C ATOM 1935 O PRO B 70 -3.542 6.522 4.752 1.00 0.00 O ATOM 1936 CB PRO B 70 -3.833 4.518 2.604 1.00 0.00 C ATOM 1937 CG PRO B 70 -4.601 3.202 2.689 1.00 0.00 C ATOM 1938 CD PRO B 70 -4.710 2.972 4.195 1.00 0.00 C ATOM 0 HA PRO B 70 -1.897 4.055 3.470 1.00 0.00 H new ATOM 0 HB2 PRO B 70 -4.497 5.379 2.685 1.00 0.00 H new ATOM 0 HB3 PRO B 70 -3.300 4.614 1.658 1.00 0.00 H new ATOM 0 HG2 PRO B 70 -5.582 3.275 2.219 1.00 0.00 H new ATOM 0 HG3 PRO B 70 -4.069 2.390 2.193 1.00 0.00 H new ATOM 0 HD2 PRO B 70 -5.597 3.456 4.604 1.00 0.00 H new ATOM 0 HD3 PRO B 70 -4.792 1.910 4.426 1.00 0.00 H new ATOM 1946 N ASN B 71 -1.320 6.159 4.583 1.00 0.00 N ATOM 1947 CA ASN B 71 -0.910 7.437 5.153 1.00 0.00 C ATOM 1948 C ASN B 71 -1.030 8.572 4.125 1.00 0.00 C ATOM 1949 O ASN B 71 -1.014 9.738 4.517 1.00 0.00 O ATOM 1950 CB ASN B 71 0.505 7.322 5.743 1.00 0.00 C ATOM 1951 CG ASN B 71 0.907 8.549 6.557 1.00 0.00 C ATOM 1952 OD1 ASN B 71 1.748 9.333 6.124 1.00 0.00 O ATOM 1953 ND2 ASN B 71 0.309 8.715 7.740 1.00 0.00 N ATOM 0 H ASN B 71 -0.538 5.559 4.322 1.00 0.00 H new ATOM 0 HA ASN B 71 -1.586 7.693 5.968 1.00 0.00 H new ATOM 0 HB2 ASN B 71 0.559 6.437 6.377 1.00 0.00 H new ATOM 0 HB3 ASN B 71 1.221 7.178 4.934 1.00 0.00 H new ATOM 0 HD21 ASN B 71 0.546 9.518 8.323 1.00 0.00 H new ATOM 0 HD22 ASN B 71 -0.384 8.039 8.060 1.00 0.00 H new ATOM 1960 N ILE B 72 -1.189 8.241 2.831 1.00 0.00 N ATOM 1961 CA ILE B 72 -1.340 9.198 1.742 1.00 0.00 C ATOM 1962 C ILE B 72 -2.756 9.108 1.170 1.00 0.00 C ATOM 1963 O ILE B 72 -3.297 8.016 0.994 1.00 0.00 O ATOM 1964 CB ILE B 72 -0.265 9.007 0.653 1.00 0.00 C ATOM 1965 CG1 ILE B 72 -0.458 7.835 -0.333 1.00 0.00 C ATOM 1966 CG2 ILE B 72 1.145 9.008 1.255 1.00 0.00 C ATOM 1967 CD1 ILE B 72 -0.509 6.421 0.248 1.00 0.00 C ATOM 0 H ILE B 72 -1.215 7.272 2.515 1.00 0.00 H new ATOM 0 HA ILE B 72 -1.191 10.202 2.140 1.00 0.00 H new ATOM 0 HB ILE B 72 -0.400 9.883 0.018 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -1.384 8.006 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE B 72 0.354 7.870 -1.060 1.00 0.00 H new ATOM 0 HG21 ILE B 72 1.880 8.871 0.461 1.00 0.00 H new ATOM 0 HG22 ILE B 72 1.326 9.959 1.757 1.00 0.00 H new ATOM 0 HG23 ILE B 72 1.234 8.195 1.975 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -0.648 5.701 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE B 72 0.425 6.207 0.768 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -1.340 6.346 0.949 1.00 0.00 H new